Use of the Solution to the Schrödinger Equation

  • Rudolf Zahradník
  • Rudolf Polák

Abstract

In methods in which electron repulsion is not considered explicitly (HMO, EHT), the relations are simple. For illustration it will be useful to consider a system described, say, by six molecular orbitals (φ 1,φ 2, …,φ 6) and by the corresponding orbital energies (E l, E 2, …, E 6) (Fig. 11–1). The total energy is given by [cf. Eq. (10–115)].

Keywords

Manifold Benzene Hydrocarbon Pyridine Carbon Monoxide 

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Copyright information

© Rudolf Zahradník, Rudolf Polák 1980

Authors and Affiliations

  • Rudolf Zahradník
    • 1
  • Rudolf Polák
    • 1
  1. 1.J. Heyrovský Institute of Physical Chemistry and ElectrochemistryCzechoslovak Academy of SciencesPragueCzech

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